1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C15H19N5O — CID 124971600

IUPAC1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2cnc(-c3cn[nH]c3C)cn2)C1
InChIInChI=1S/C15H19N5O/c1-10-14(7-18-19-10)15-8-16-13(6-17-15)5-12-3-4-20(9-12)11(2)21/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyJXSFCWVQBXCDME-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.59
Rot. Bonds3

About 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 124971600) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID124971600
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2cnc(-c3cn[nH]c3C)cn2)C1
InChIInChI=1S/C15H19N5O/c1-10-14(7-18-19-10)15-8-16-13(6-17-15)5-12-3-4-20(9-12)11(2)21/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyJXSFCWVQBXCDME-LBPRGKRZSA-N
XLogP1.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 124971600) is 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](Cc2cnc(-c3cn[nH]c3C)cn2)C1.
What is the InChIKey of 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is JXSFCWVQBXCDME-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-14(7-18-19-10)15-8-16-13(6-17-15)5-12-3-4-20(9-12)11(2)21/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124971600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).